1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine

C16H22N2O2 — CID 66406724

IUPAC1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCCOc1ccccc1OCCn1ccc(CNC)c1
InChIInChI=1S/C16H22N2O2/c1-3-19-15-6-4-5-7-16(15)20-11-10-18-9-8-14(13-18)12-17-2/h4-9,13,17H,3,10-12H2,1-2H3
InChIKeyQLEBYEJHIRWXAT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.69
Rot. Bonds8

About 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine

1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66406724) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID66406724
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCCOc1ccccc1OCCn1ccc(CNC)c1
InChIInChI=1S/C16H22N2O2/c1-3-19-15-6-4-5-7-16(15)20-11-10-18-9-8-14(13-18)12-17-2/h4-9,13,17H,3,10-12H2,1-2H3
InChIKeyQLEBYEJHIRWXAT-UHFFFAOYSA-N
XLogP2.69
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 66406743
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one
CID 79109199
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66404285
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66405496
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
CID 66404275
4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
CID 106720878
N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79100111
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404694
1-[2-(2-ethoxyphenoxy)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115305364

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine (CID 66406724) is 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine is CCOc1ccccc1OCCn1ccc(CNC)c1.
What is the InChIKey of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is QLEBYEJHIRWXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-19-15-6-4-5-7-16(15)20-11-10-18-9-8-14(13-18)12-17-2/h4-9,13,17H,3,10-12H2,1-2H3.
What are the key properties of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine?
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66406724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).